For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl hexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl hexyl ester
SpectraBase Compound ID 9i9YTUy4N4I
InChI InChI=1S/C22H32O4/c1-4-5-6-9-14-25-21(23)19-10-7-8-11-20(19)22(24)26-18-13-12-16(2)17(3)15-18/h12-13,15,19-20H,4-11,14H2,1-3H3
InChIKey QLBHPGXNOWFPNU-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID XvGhKAuA7
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-4-5-6-9-14-25-21(23)19-10-7-8-11-20(19)22(24)26-18-13-12-16(2)17(3)15-18/h12-13,15,19-20H,4-11,14H2,1-3H3
InChIKey QLBHPGXNOWFPNU-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCCCC)=O